SCHEMBL6314736

SCHEMBL6314736

COc1cc(C)c2c(c1C)CCN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 8/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25647588 0.91 CASP1 (0.43) HTR2AKDM4EALDH1A1LMNAGLA
SCHEMBL23641611 0.83 HTR2A (0.37) HTR2AKDM4EALDH1A1LMNAGLA
SCHEMBL26551004 0.80 PDE3B (0.38) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL25647645 0.75 ALDH1A1 (0.34) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL6314154 0.74 KDM4E (0.36) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL18920026 0.74 PNMT (0.41) HTR2ALMNAHSD17B10ALOX5HTR2C
SCHEMBL18920015 0.73 NCOA1 (0.43) KDM4EALDH1A1LMNAHPGDPARP1
SCHEMBL6029676 0.73 HTR2A (0.43) HTR2AALDH1A1LMNAHTR2CHTR2B
SCHEMBL24201621 0.73 PARP1 (0.47) KDM4EALDH1A1GAAHSD17B10PARP1
SCHEMBL26551494 0.72 PARP1 (0.40) KDM4EALDH1A1LMNAGLAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed